Iron in PDB 1nx4: The Crystal Structure of Carbapenem Synthase (Carc)

The structure of The Crystal Structure of Carbapenem Synthase (Carc), PDB code: 1nx4 was solved by I.J.Clifton, L.X.Doan, M.C.Sleeman, M.Topf, H.Suzuki, R.C.Wilmouth, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.65 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	79.930, 163.946, 146.455, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 26.8

The binding sites of Iron atom in the The Crystal Structure of Carbapenem Synthase (Carc) (pdb code 1nx4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the The Crystal Structure of Carbapenem Synthase (Carc), PDB code: 1nx4:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the The Crystal Structure of Carbapenem Synthase (Carc)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Carbapenem Synthase (Carc) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:40.2 occ:1.00 O5 A:AKG280 1.9 57.2 1.0 OD1 A:ASP103 2.1 18.6 1.0 NE2 A:HIS101 2.2 17.1 1.0 NE2 A:HIS251 2.3 16.9 1.0 O2 A:AKG280 2.5 63.5 1.0 C2 A:AKG280 2.8 60.9 1.0 CG A:ASP103 2.9 24.1 1.0 OD2 A:ASP103 3.0 19.6 1.0 C1 A:AKG280 3.0 62.4 1.0 CE1 A:HIS101 3.1 18.0 1.0 CD2 A:HIS101 3.1 17.8 1.0 CE1 A:HIS251 3.2 21.1 1.0 CD2 A:HIS251 3.3 17.8 1.0 C3 A:AKG280 4.1 60.9 1.0 ND1 A:HIS101 4.2 18.2 1.0 O1 A:AKG280 4.2 62.5 1.0 CG A:HIS101 4.2 18.9 1.0 CB A:ASP103 4.3 25.8 1.0 ND1 A:HIS251 4.3 22.3 1.0 CG A:HIS251 4.4 20.3 1.0 CA A:ASP103 4.7 26.9 1.0 N A:ASP103 4.7 25.2 1.0

Iron binding site 2 out of 3 in the The Crystal Structure of Carbapenem Synthase (Carc)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Carbapenem Synthase (Carc) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe300 b:37.7 occ:1.00 O B:HOH335 2.0 40.0 1.0 OD1 B:ASP103 2.1 21.5 1.0 O2 B:AKG281 2.1 47.0 1.0 NE2 B:HIS101 2.1 15.5 1.0 NE2 B:HIS251 2.2 20.8 1.0 O5 B:AKG281 2.3 47.4 1.0 C1 B:AKG281 2.9 47.8 1.0 C2 B:AKG281 3.0 47.3 1.0 CG B:ASP103 3.0 24.5 1.0 CE1 B:HIS101 3.1 15.2 1.0 CD2 B:HIS101 3.1 18.3 1.0 CE1 B:HIS251 3.1 19.2 1.0 OD2 B:ASP103 3.1 26.0 1.0 CD2 B:HIS251 3.3 21.2 1.0 O1 B:AKG281 4.0 48.2 1.0 ND1 B:HIS101 4.2 13.3 1.0 CG B:HIS101 4.2 19.3 1.0 ND1 B:HIS251 4.2 20.6 1.0 CG B:HIS251 4.3 21.2 1.0 CB B:ASP103 4.4 22.9 1.0 C3 B:AKG281 4.4 46.5 1.0 N B:ASP103 4.7 22.1 1.0 CA B:ASP103 4.7 22.8 1.0 C4 B:AKG281 4.9 43.7 1.0 O B:HOH373 4.9 41.1 1.0

Iron binding site 3 out of 3 in the The Crystal Structure of Carbapenem Synthase (Carc)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of Carbapenem Synthase (Carc) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe300 b:38.7 occ:1.00 O2 C:AKG282 2.1 70.0 1.0 OD1 C:ASP103 2.2 27.8 1.0 NE2 C:HIS101 2.2 21.9 1.0 NE2 C:HIS251 2.2 22.0 1.0 O5 C:AKG282 2.4 64.3 1.0 C1 C:AKG282 2.9 67.5 1.0 OD2 C:ASP103 2.9 27.3 1.0 CG C:ASP103 3.0 27.4 1.0 C2 C:AKG282 3.0 66.1 1.0 CE1 C:HIS101 3.1 20.1 1.0 CE1 C:HIS251 3.1 20.0 1.0 CD2 C:HIS101 3.2 19.8 1.0 CD2 C:HIS251 3.2 17.0 1.0 O1 C:AKG282 4.0 67.9 1.0 O C:HOH373 4.1 52.9 1.0 ND1 C:HIS101 4.2 16.3 1.0 ND1 C:HIS251 4.2 20.7 1.0 CG C:HIS101 4.3 19.5 1.0 CG C:HIS251 4.3 20.3 1.0 CB C:ASP103 4.4 27.6 1.0 C3 C:AKG282 4.5 63.5 1.0 CA C:ASP103 4.8 28.2 1.0 N C:ASP103 5.0 25.9 1.0

I.J.Clifton, L.X.Doan, M.C.Sleeman, M.Topf, H.Suzuki, R.C.Wilmouth, C.J.Schofield. Crystal Structure of Carbapenem Synthase (Carc). J.Biol.Chem. V. 278 20843 2003.
ISSN: ISSN 0021-9258
PubMed: 12611886
DOI: 10.1074/JBC.M213054200